Information card for entry 4088372

Structure parameters

• Formula: C22 H33 Cl3 Fe Ga O4 P
• Calculated formula: C22 H33 Cl3 Fe Ga O4 P
• SMILES: [Ga](Cl)([Fe]([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(C#[O])(C#[O])(C#[O])C#[O])(Cl)Cl
• Title of publication: Steric Control between Neutral Metal-Only Lewis Pairs and Metal-Stabilized Gallenium and Gallinium Cations
• Authors of publication: Braunschweig, Holger; Dewhurst, Rian D.; Schneider, Christoph
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 7
• Pages of publication: 1002
• a: 11.2213 ± 0.0004 Å
• b: 14.6564 ± 0.0006 Å
• c: 16.1887 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2662.46 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No